(3R)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-phenethyl-pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-phenethyl-pyrrolidine-2,5-dione Openeye Name: (3R)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-phenethyl-pyrrolidine-2,5-dione CAS Name: (3R)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-phenethylpyrrolidine-2,5-dione IUPAC Name: (3R)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-phenethylpyrrolidine-2,5-dione Traditional Name: (3R)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-phenethyl-pyrrolidine-2,5-quinone Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)C3CC(=O)N(C3=O)CCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)[C@@H]3CC(=O)N(C3=O)CCC4=CC=CC=C4)OC

InChI

InChI=1S/C23H26N2O4/c1-28-20-12-17-9-10-24(15-18(17)13-21(20)29-2)19-14-22(26)25(23(19)27)11-8-16-6-4-3-5-7-16/h3-7,12-13,19H,8-11,14-15H2,1-2H3/p+1/t19-/m1/s1